2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole

C18H11ClN2O — CID 161074918

IUPAC2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole
SMILESClc1ccc(-c2nc3cc(-c4ccccn4)ccc3o2)cc1
InChIInChI=1S/C18H11ClN2O/c19-14-7-4-12(5-8-14)18-21-16-11-13(6-9-17(16)22-18)15-3-1-2-10-20-15/h1-11H
InChIKeyUFDJMIBWHATARK-UHFFFAOYSA-N
MW306.75 g/mol
LogP5.21
Rot. Bonds2

About 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole

2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole (PubChem CID 161074918) has the molecular formula C18H11ClN2O and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole
PubChem CID161074918
Molecular FormulaC18H11ClN2O
Molecular Weight306.75 g/mol
Exact Mass306.06
IUPAC Name2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole
SMILESClc1ccc(-c2nc3cc(-c4ccccn4)ccc3o2)cc1
InChIInChI=1S/C18H11ClN2O/c19-14-7-4-12(5-8-14)18-21-16-11-13(6-9-17(16)22-18)15-3-1-2-10-20-15/h1-11H
InChIKeyUFDJMIBWHATARK-UHFFFAOYSA-N
XLogP5.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.75
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
N-benzyl-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
CID 56737121
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
2-pyridin-2-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158867
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole (CID 161074918) is 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole is Clc1ccc(-c2nc3cc(-c4ccccn4)ccc3o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is UFDJMIBWHATARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O/c19-14-7-4-12(5-8-14)18-21-16-11-13(6-9-17(16)22-18)15-3-1-2-10-20-15/h1-11H.
What are the key properties of 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole?
2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole has a molecular weight of 306.75 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 161074918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).